UCSF

ZINC09428366

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 27 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.60 10.86 -8.98 1 5 0 62 493.37 4
Mid Mid (pH 6-8) 4.60 10.21 -9.58 1 5 0 62 493.37 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )